Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 604.6 BDBM50083738

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor X (Homo sapiens (Human))	BDBM50083738 (CHEMBL115378 | {(R)-1-{[((S)-1-Carbamimidoyl-2-hyd...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2nccc3ccccc23)NC(=O)OCc2ccccc2)C1O Show InChI InChI=1S/C30H36N8O6/c31-29(32)38-16-6-11-23(28(38)42)36-24(39)17-35-26(40)22(37-30(43)44-18-19-7-2-1-3-8-19)13-15-34-27(41)25-21-10-5-4-9-20(21)12-14-33-25/h1-5,7-10,12,14,22-23,28,42H,6,11,13,15-18H2,(H3,31,32)(H,34,41)(H,35,40)(H,36,39)(H,37,43)/t22-,23+,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	313	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of human Factor Xa.				Bioorg Med Chem Lett 9: 3459-64 (2000) BindingDB Entry DOI: 10.7270/Q2JD4W1F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50083738 (CHEMBL115378 | {(R)-1-{[((S)-1-Carbamimidoyl-2-hyd...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2nccc3ccccc23)NC(=O)OCc2ccccc2)C1O Show InChI InChI=1S/C30H36N8O6/c31-29(32)38-16-6-11-23(28(38)42)36-24(39)17-35-26(40)22(37-30(43)44-18-19-7-2-1-3-8-19)13-15-34-27(41)25-21-10-5-4-9-20(21)12-14-33-25/h1-5,7-10,12,14,22-23,28,42H,6,11,13,15-18H2,(H3,31,32)(H,34,41)(H,35,40)(H,36,39)(H,37,43)/t22-,23+,28?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of human Thrombin (FIIa).				Bioorg Med Chem Lett 9: 3459-64 (2000) BindingDB Entry DOI: 10.7270/Q2JD4W1F
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50083738 (CHEMBL115378 | {(R)-1-{[((S)-1-Carbamimidoyl-2-hyd...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2nccc3ccccc23)NC(=O)OCc2ccccc2)C1O Show InChI InChI=1S/C30H36N8O6/c31-29(32)38-16-6-11-23(28(38)42)36-24(39)17-35-26(40)22(37-30(43)44-18-19-7-2-1-3-8-19)13-15-34-27(41)25-21-10-5-4-9-20(21)12-14-33-25/h1-5,7-10,12,14,22-23,28,42H,6,11,13,15-18H2,(H3,31,32)(H,34,41)(H,35,40)(H,36,39)(H,37,43)/t22-,23+,28?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of human thrombolytic protease Plasmin.				Bioorg Med Chem Lett 9: 3459-64 (2000) BindingDB Entry DOI: 10.7270/Q2JD4W1F
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM50083738 (CHEMBL115378 | {(R)-1-{[((S)-1-Carbamimidoyl-2-hyd...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2nccc3ccccc23)NC(=O)OCc2ccccc2)C1O Show InChI InChI=1S/C30H36N8O6/c31-29(32)38-16-6-11-23(28(38)42)36-24(39)17-35-26(40)22(37-30(43)44-18-19-7-2-1-3-8-19)13-15-34-27(41)25-21-10-5-4-9-20(21)12-14-33-25/h1-5,7-10,12,14,22-23,28,42H,6,11,13,15-18H2,(H3,31,32)(H,34,41)(H,35,40)(H,36,39)(H,37,43)/t22-,23+,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of human trypsin.				Bioorg Med Chem Lett 9: 3459-64 (2000) BindingDB Entry DOI: 10.7270/Q2JD4W1F
					More data for this Ligand-Target Pair